Iodide

Iodide

SCHEMBL3049800

Cc1n(CCN(C)C(=O)C(O)(c2ccccc2)C2CCCC2)cc[n+]1C.[I-]

nearest known ligand 0.45

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHECHRM1CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNG

The experimentally established mechanism targets of Iodide. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM3 known ✓ P20309 9/20 0.43
CHRM1 known ✓ P11229 5/20 0.39
ALDH1A1 P00352 2/20 0.45
POLB P06746 1/20 0.44
KEAP1 Q14145 1/20 0.43
NFE2L2 Q16236 1/20 0.43
CHRM2 P08172 5/20 0.39
HRH1 P35367 1/20 0.39
KCNH2 Q12809 1/20 0.39
SLC29A1 Q99808 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 2/20 0.39
LMNA P02545 1/20 0.39
CYP2D6 P10635 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Iodide SCHEMBL3035535 0.94 ALDH1A1 (0.44) ALDH1A1POLBCHRM3KEAP1NFE2L2
Iodide SCHEMBL3038907 0.83 ALDH1A1 (0.46) ALDH1A1POLBCHRM3KEAP1NFE2L2
SCHEMBL5134240 0.82 ALDH1A1 (0.47) ALDH1A1POLBCHRM3KEAP1NFE2L2
Iodide SCHEMBL3046849 0.81 CHRM3 (0.46) CHRM3KEAP1NFE2L2CHRM2CHRM1
Iodide SCHEMBL3040643 0.80 POLB (0.56) ALDH1A1POLBCHRM3CHRM2CHRM1
Iodide SCHEMBL3044210 0.80 POLB (0.56) ALDH1A1POLBCHRM3CHRM2CHRM1
SCHEMBL5133252 0.80 CHRM3 (0.46) CHRM3KEAP1NFE2L2CHRM2CHRM1
Iodide SCHEMBL3038138 0.80 CHRM3 (0.44) CHRM3KEAP1NFE2L2CHRM2CHRM1
Iodide SCHEMBL3049337 0.80 HTT (0.60) ALDH1A1POLBCHRM3CHRM2CHRM1
SCHEMBL5209257 0.79 POLB (0.57) ALDH1A1POLBCHRM3KEAP1NFE2L2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100222393-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2010-09-02 US claimed
US-20100004215-A1 COMPOSITIONS OF PHOSPHODIESTERASE TYPE IV INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2010-01-07 US claimed
EP-2111861-A1 Compositions of phosphodiesterase type IV inhibitors Ranbaxy Laboratories Limited (IN) 2009-10-28 EP claimed
US-20100222393-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2010-09-02 US disclosed
US-20100004215-A1 COMPOSITIONS OF PHOSPHODIESTERASE TYPE IV INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2010-01-07 US disclosed
EP-2111861-A1 Compositions of phosphodiesterase type IV inhibitors Ranbaxy Laboratories Limited (IN) 2009-10-28 EP disclosed
EP-1968945-A2 MUSCARINIC RECEPTOR ANTAGONISTS Ranbaxy Laboratories Limited (IN) 2008-09-17 EP disclosed
WO-2007077510-A2 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2007-07-12 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100222393-A1 MUSCARINIC RECEPTOR ANTAGONISTS CHRM3, CHRM2, CHRM1 CHRM3 1/4885CHRM1 3/4885ALDH1A1 1738/4885
US-20100004215-A1 COMPOSITIONS OF PHOSPHODIESTERASE TYPE IV INHIBITORS PDE4B, PDE4A, PDE3B CHRM3 88/4885CHRM1 158/4885ALDH1A1 2460/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.